SCHEMBL5544232

SCHEMBL5544232

Fc1cc(Cl)ccc1CC[C]=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
TP53 P04637 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CXCR3 P49682 4/20 0.35
IDO1 P14902 1/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 3/20 0.34
GRM2 Q14416 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16992744 0.81 FFAR1 (0.42) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL5546270 0.81 CYP3A4 (0.39) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL18482277 0.76 HTR2A (0.41) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL4392149 0.76 TAAR1 (0.50) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL25322706 0.75 HTR2A (0.43) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL2339561 0.75 CA2 (0.41) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL3126933 0.75 HTR2A (0.40) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL16404688 0.75 HTR2A (0.40) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL9921231 0.75 KCNH2 (0.45) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL29434711 0.75 CA2 (0.41) HTR2ATP53HTR1AHTR7HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HTR2A 4120/4885TP53 4494/4885HTR1A 4141/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.